2-methyl-2,3-dihydro-1,3-benzothiazin-4-one

C9H9NOS — CID 59509224

IUPAC2-methyl-2,3-dihydro-1,3-benzothiazin-4-one
SMILESCC1NC(=O)c2ccccc2S1
InChIInChI=1S/C9H9NOS/c1-6-10-9(11)7-4-2-3-5-8(7)12-6/h2-6H,1H3,(H,10,11)
InChIKeyCJPGWSVYXXCIGI-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.87
Rot. Bonds

About 2-methyl-2,3-dihydro-1,3-benzothiazin-4-one

2-methyl-2,3-dihydro-1,3-benzothiazin-4-one (PubChem CID 59509224) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1,3-benzothiazin-4-one.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1,3-benzothiazin-4-one
PubChem CID59509224
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name2-methyl-2,3-dihydro-1,3-benzothiazin-4-one
SMILESCC1NC(=O)c2ccccc2S1
InChIInChI=1S/C9H9NOS/c1-6-10-9(11)7-4-2-3-5-8(7)12-6/h2-6H,1H3,(H,10,11)
InChIKeyCJPGWSVYXXCIGI-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(dimethylaminomethylidene)-2-methylthiochromen-4-one
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1,3-benzothiazin-4-one?
The IUPAC name of 2-methyl-2,3-dihydro-1,3-benzothiazin-4-one (CID 59509224) is 2-methyl-2,3-dihydro-1,3-benzothiazin-4-one.
What is the SMILES notation for 2-methyl-2,3-dihydro-1,3-benzothiazin-4-one?
The canonical SMILES for 2-methyl-2,3-dihydro-1,3-benzothiazin-4-one is CC1NC(=O)c2ccccc2S1.
What is the InChIKey of 2-methyl-2,3-dihydro-1,3-benzothiazin-4-one?
The InChIKey is CJPGWSVYXXCIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-6-10-9(11)7-4-2-3-5-8(7)12-6/h2-6H,1H3,(H,10,11).
What are the key properties of 2-methyl-2,3-dihydro-1,3-benzothiazin-4-one?
2-methyl-2,3-dihydro-1,3-benzothiazin-4-one has a molecular weight of 179.24 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1,3-benzothiazin-4-one is sourced from PubChem (CID 59509224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).